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![(R)-1-[(SP)-2-(ジシクロヘキシルホスフィノ)フェロセニル]エチルジ-tert-ブチルホスフィン ≥97%](/deepweb/assets/sigmaaldrich/product/structures/809/974/e027b628-7c2e-4bde-be7e-f9298d0c8b04/640/e027b628-7c2e-4bde-be7e-f9298d0c8b04.png)
アッセイ
97%
形状
powder
mp
98-100 °C (lit.)
官能基
chloro
nitrile
nitro
SMILES記法
[O-][N+](=O)c1cc(ccc1Cl)C#N
InChI
1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChI Key
XBLPHYSLHRGMNW-UHFFFAOYSA-N
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詳細
FT-IR and μ-Raman spectra of 4-chloro-3-nitrobenzonitrile have been recorded in the range of 400-4000cm-1 and 100-4000cm-1, respectively. It has been prepred from the reaction of 4-chloro-3-nitrobenzamide and phosphorus oxychloride. Crystal structure of 4-chloro-3-nitrobenzonitrile has been reported. Molecules of 4-chloro-3-nitrobenzonitrile are linked by weak intermolecular C-H…O and C-H…N hydrogen bonds.
アプリケーション
4-Chloro-3-nitrobenzonitrile may be employed for the radiosynthesis of analogs of serotonin transporter (SERT) ligands for use in positron emission tomography (PET) studies and for the preparation of N-(4-cyano-2-nitrophenyl)glycine.
4-Chloro-3-nitrobenzonitrile may be used in the synthesis of 3-nitro-4-thiocyanobenzonitryl.
シグナルワード
Warning
危険有害性情報
危険有害性の分類
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
ターゲットの組織
Respiratory system
保管分類コード
11 - Combustible Solids
WGK
WGK 2
引火点(°F)
Not applicable
引火点(℃)
Not applicable
個人用保護具 (PPE)
dust mask type N95 (US), Eyeshields, Gloves
適用法令
試験研究用途を考慮した関連法令を主に挙げております。化学物質以外については、一部の情報のみ提供しています。 製品を安全かつ合法的に使用することは、使用者の義務です。最新情報により修正される場合があります。WEBの反映には時間を要することがあるため、適宜SDSをご参照ください。
毒物及び劇物取締法
劇物
Jan Code
380059-10KG:
380059-VAR:
380059-5G:4548173141923
380059-25G:4548173141916
380059-BULK:
Galina R Demina et al.
PloS one, 4(12), e8174-e8174 (2009-12-18)
Resuscitation promoting factors (RPF) are secreted proteins involved in reactivation of dormant actinobacteria, including Mycobacterium tuberculosis. They have been considered as prospective targets for the development of new anti-tuberculosis drugs preventing reactivation of dormant tubercle bacilli, generally associated with latent
Bo-Nian Liu et al.
Acta crystallographica. Section E, Structure reports online, 65(Pt 1), o92-o92 (2008-01-01)
In the title compound, C(7)H(3)ClN(2)O(2), the Cl, C and N atoms are coplanar with the aromatic ring. In the crystal structure, weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules. The π-π contact between the benzene rings, [centroid-centroid distances
Yusuf Sert et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 107, 248-255 (2013-02-26)
In the present study, the experimental and theoretical harmonic and anharmonic vibrational frequencies of 4-chloro-3-nitrobenzonitrile were investigated. The experimental FT-IR (400-4000 cm(-1)) and μ-Raman spectra (100-4000 cm(-1)) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and
S X Cai et al.
Journal of medicinal chemistry, 40(5), 730-738 (1997-02-28)
We report on a series of alkyl- and alkoxy-substituted 1,4-dihydroquinoxaline-2,3-diones (QXs), prepared as a continuation of our structure-activity relationship (SAR) study of QXs as antagonists for the glycine site of the N-methyl-D-aspartate (NMDA) receptor. The in vitro potency of these
A A Wilson et al.
Journal of medicinal chemistry, 43(16), 3103-3110 (2000-08-24)
A series of four 2-(phenylthio)araalkylamines have been radiolabeled with (11)C and evaluated as potential radiotracers for imaging the serotonin transporter (SERT) by positron emission tomography (PET). All four candidates display high affinity for SERT and low affinity for the dopamine
ライフサイエンス、有機合成、材料科学、クロマトグラフィー、分析など、あらゆる分野の研究に経験のあるメンバーがおります。.
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